#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qan s GLN 10 N 0.00 0.92 -0.40 1.43 -0.21 -1.26 -4.78 119.66 115.36 1qan s GLN 10 Ca 0.00 -1.53 -0.03 0.00 0.02 0.00 0.00 55.36 53.82 1qan s GLN 10 Cb 0.00 -1.98 0.10 0.00 1.00 0.00 0.00 33.01 32.13 1qan s GLN 10 CO 0.00 -1.11 0.19 -0.80 -2.12 0.00 0.00 175.29 171.44 1qan s ASN 11 N 0.95 5.23 0.40 5.90 0.01 -1.26 -4.33 114.94 121.85 1qan s ASN 11 Ca 0.15 -1.94 -0.14 0.00 -0.71 0.00 0.00 52.86 50.21 1qan s ASN 11 Cb -0.22 -1.82 -0.08 0.00 0.41 0.00 0.00 41.25 39.54 1qan s ASN 11 CO -0.09 -0.52 0.82 -0.36 -1.51 0.00 0.00 177.10 175.45 1qan s PHE 12 N 1.16 3.41 -0.33 2.20 0.08 -0.94 -4.70 117.98 118.86 1qan s PHE 12 Ca 0.07 1.25 -0.00 0.00 0.12 0.00 0.00 56.93 58.37 1qan s PHE 12 Cb -0.22 -2.59 0.08 0.00 -0.57 0.00 0.00 43.02 39.71 1qan s PHE 12 CO -0.04 -0.08 0.05 0.42 -0.10 0.00 0.00 175.22 175.47 1qan s ILE 13 N -2.26 2.84 -1.04 0.64 1.01 -1.26 -1.35 121.20 119.78 1qan s ILE 13 Ca 0.55 -1.77 0.09 0.00 0.00 0.00 0.00 60.65 59.52 1qan s ILE 13 Cb -0.10 -2.80 0.05 0.00 0.01 0.00 0.00 42.46 39.61 1qan s ILE 13 CO 0.24 -0.34 0.72 0.35 0.00 0.00 0.00 174.94 175.91 1qan n THR 14 N 4.52 0.00 -2.70 2.92 -2.24 -1.26 -4.83 114.28 110.69 1qan n THR 14 Ca -0.07 -0.47 -0.43 0.00 -2.27 0.00 0.00 64.05 60.81 1qan n THR 14 Cb 0.42 1.16 -0.03 0.00 -2.10 0.00 0.00 70.33 69.79 1qan n THR 14 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1qan s SER 15 N -0.94 6.80 0.31 3.42 0.15 -1.26 -4.89 113.70 117.29 1qan s SER 15 Ca 0.10 0.81 0.07 0.00 0.70 0.00 0.00 55.95 57.63 1qan s SER 15 Cb 0.08 -2.51 0.83 0.00 -1.71 0.00 0.00 66.02 62.71 1qan s SER 15 CO 0.15 -0.91 1.71 0.50 1.20 0.00 0.00 173.24 175.90 1qan h LYS 16 N 8.36 0.47 -0.82 5.44 1.63 -1.99 0.21 116.57 129.87 1qan h LYS 16 Ca -0.22 -0.03 0.04 0.00 -0.85 0.00 0.00 60.65 59.59 1qan h LYS 16 Cb 1.07 -0.11 -0.05 0.00 -0.60 0.00 0.00 32.23 32.54 1qan h LYS 16 CO 1.02 0.31 0.52 1.25 -3.45 0.00 0.00 179.45 179.10 1qan h HIS 17 N 0.49 0.96 0.01 1.91 2.76 -2.00 -1.54 115.15 117.73 1qan h HIS 17 Ca 0.62 0.03 -0.21 0.00 -2.20 0.00 0.00 60.37 58.60 1qan h HIS 17 Cb 1.19 -0.32 -0.00 0.00 1.55 0.00 0.00 27.41 29.83 1qan h HIS 17 CO -0.06 0.54 -0.92 -0.91 -1.30 0.00 0.00 177.93 175.27 1qan h ASN 18 N 0.99 0.39 -0.59 3.26 2.35 -1.07 -3.05 115.58 117.86 1qan h ASN 18 Ca 0.33 -0.32 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 1qan h ASN 18 Cb 0.05 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.27 1qan h ASN 18 CO -0.13 1.13 0.35 0.40 -1.65 0.00 0.00 177.43 177.53 1qan h ILE 19 N 0.16 1.18 -0.81 2.81 2.04 -0.75 -1.98 117.51 120.16 1qan h ILE 19 Ca -0.06 -0.41 -0.05 0.00 1.00 0.00 0.00 64.86 65.34 1qan h ILE 19 Cb 1.56 0.38 -0.04 0.00 -0.74 0.00 0.00 36.82 37.99 1qan h ILE 19 CO 0.15 0.19 0.33 0.44 0.00 0.00 0.00 178.15 179.25 1qan h ASP 20 N 0.80 1.11 -0.09 1.72 3.32 -1.30 -0.39 116.42 121.59 1qan h ASP 20 Ca 0.21 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1qan h ASP 20 Cb -0.01 -0.29 -0.00 0.00 0.22 0.00 0.00 39.33 39.25 1qan h ASP 20 CO -0.04 0.98 0.06 0.11 -1.72 0.00 0.00 179.24 178.63 1qan h LYS 21 N 1.17 0.12 -0.48 3.56 1.57 -1.36 -1.51 116.57 119.65 1qan h LYS 21 Ca 0.27 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.03 1qan h LYS 21 Cb 0.21 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 1qan h LYS 21 CO -0.02 0.09 0.25 0.82 -0.57 0.00 0.00 179.45 180.01 1qan h ILE 22 N 0.12 1.18 0.00 1.86 2.04 -1.13 -1.88 117.51 119.69 1qan h ILE 22 Ca 0.03 -0.48 -0.00 0.00 1.00 0.00 0.00 64.86 65.42 1qan h ILE 22 Cb -0.01 0.61 -0.00 0.00 -0.74 0.00 0.00 36.82 36.68 1qan h ILE 22 CO -0.01 0.19 -0.01 0.24 0.00 0.00 0.00 178.15 178.56 1qan h MET 23 N 0.63 0.00 -0.75 2.37 2.86 -0.87 -1.50 114.93 117.67 1qan h MET 23 Ca 0.17 0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.90 1qan h MET 23 Cb 0.08 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.69 1qan h MET 23 CO -0.02 0.01 0.49 1.15 1.06 0.00 0.00 176.91 179.60 1qan h THR 24 N 0.00 0.94 0.00 2.22 2.02 -0.41 -1.81 112.91 115.87 1qan h THR 24 Ca -0.00 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.95 1qan h THR 24 Cb 0.03 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 66.66 1qan h THR 24 CO 0.00 0.12 -0.48 0.59 0.37 0.00 0.00 175.52 176.13 1qan n ASN 25 N -4.50 0.53 -4.46 4.18 4.13 -0.57 -4.76 115.26 109.82 1qan n ASN 25 Ca 0.12 0.02 -0.43 0.00 1.68 0.00 0.00 54.58 55.96 1qan n ASN 25 Cb 0.33 0.09 -0.05 0.00 -1.54 0.00 0.00 39.78 38.61 1qan n ASN 25 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1qan s ILE 26 N -3.07 4.71 -1.24 2.41 1.01 -0.68 -4.97 121.20 119.36 1qan s ILE 26 Ca 0.09 -0.30 -0.06 0.00 0.00 0.00 0.00 60.65 60.37 1qan s ILE 26 Cb 0.16 -4.40 0.19 0.00 0.01 0.00 0.00 42.46 38.42 1qan s ILE 26 CO 0.69 -0.95 1.97 0.54 0.00 0.00 0.00 174.94 177.18 1qan n ARG 27 N 6.62 4.24 -3.70 2.79 3.00 -1.26 -4.96 116.66 123.40 1qan n ARG 27 Ca -0.04 -3.78 -0.33 0.00 -0.01 0.00 0.00 57.85 53.68 1qan n ARG 27 Cb 0.46 -2.72 -0.05 0.00 0.00 0.00 0.00 32.46 30.15 1qan n ARG 27 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1qan s LEU 28 N -1.59 4.32 0.41 0.55 1.43 -1.26 -5.10 118.68 117.44 1qan s LEU 28 Ca 0.42 0.60 0.07 0.00 -1.03 0.00 0.00 54.13 54.20 1qan s LEU 28 Cb 0.12 -3.02 -0.07 0.00 0.03 0.00 0.00 46.19 43.25 1qan s LEU 28 CO -0.02 0.15 0.07 0.54 0.23 0.00 0.00 176.35 177.31 1qan s ASN 29 N -2.07 4.06 0.63 2.29 4.22 -1.26 -4.88 114.94 117.92 1qan s ASN 29 Ca 0.35 -1.27 0.24 0.00 -2.14 0.00 0.00 52.86 50.04 1qan s ASN 29 Cb -0.13 -0.43 1.20 0.00 1.28 0.00 0.00 41.25 43.17 1qan s ASN 29 CO 0.21 -0.48 1.66 1.05 -2.04 0.00 0.00 177.10 177.50 1qan h GLU 30 N 1.66 0.00 -0.02 3.55 4.11 -1.71 -1.86 114.58 120.31 1qan h GLU 30 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.99 1qan h GLU 30 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1qan h GLU 30 CO 0.77 0.00 -0.33 0.72 0.07 0.00 0.00 179.01 180.24 1qan n HIS 31 N -3.18 0.00 -2.86 2.06 8.25 -1.26 -1.51 115.22 116.72 1qan n HIS 31 Ca 0.06 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.12 1qan n HIS 31 Cb 0.78 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.84 1qan n HIS 31 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1qan s ASP 32 N -2.32 7.45 -0.08 0.41 1.01 -0.70 -4.69 116.67 117.75 1qan s ASP 32 Ca 0.21 1.72 -0.17 0.00 0.71 0.00 0.00 52.55 55.02 1qan s ASP 32 Cb 0.19 -2.54 -0.05 0.00 1.01 0.00 0.00 42.92 41.52 1qan s ASP 32 CO 0.49 0.08 0.44 0.20 0.21 0.00 0.00 175.17 176.58 1qan s ASN 33 N -0.62 6.71 0.02 0.27 -0.87 -1.26 -1.61 114.94 117.58 1qan s ASN 33 Ca 0.41 0.84 0.08 0.00 -1.57 0.00 0.00 52.86 52.62 1qan s ASN 33 Cb -0.23 -2.27 -0.02 0.00 -0.02 0.00 0.00 41.25 38.71 1qan s ASN 33 CO 0.28 0.13 -0.23 -0.63 -2.57 0.00 0.00 177.10 174.08 1qan s ILE 34 N -0.01 1.84 -0.23 0.60 -1.09 1.00 -1.57 121.20 121.74 1qan s ILE 34 Ca 0.24 -1.15 -0.03 0.00 -2.23 0.00 0.00 60.65 57.48 1qan s ILE 34 Cb -0.16 -1.56 0.01 0.00 -1.58 0.00 0.00 42.46 39.17 1qan s ILE 34 CO 0.11 0.37 -0.06 -0.36 -1.23 0.00 0.00 174.94 173.77 1qan s PHE 35 N -0.69 2.98 -0.18 3.97 0.40 -0.86 0.05 117.98 123.65 1qan s PHE 35 Ca 0.09 -1.19 -0.09 0.00 -0.60 0.00 0.00 56.93 55.14 1qan s PHE 35 Cb -0.09 -2.08 -0.05 0.00 0.51 0.00 0.00 43.02 41.31 1qan s PHE 35 CO 0.01 -0.63 0.13 -2.00 0.70 0.00 0.00 175.22 173.42 1qan s GLU 36 N 1.42 4.01 -0.39 0.44 2.12 -0.47 -2.25 118.70 123.58 1qan s GLU 36 Ca 0.04 -0.21 -0.20 0.00 0.36 0.00 0.00 54.97 54.95 1qan s GLU 36 Cb -0.15 -3.35 0.01 0.00 0.26 0.00 0.00 34.13 30.90 1qan s GLU 36 CO -0.04 0.40 0.62 0.42 -0.54 0.00 0.00 175.26 176.12 1qan s ILE 37 N 0.07 4.88 -0.25 -3.70 1.01 -0.04 -0.88 121.20 122.28 1qan s ILE 37 Ca 0.09 0.34 -0.03 0.00 0.00 0.00 0.00 60.65 61.05 1qan s ILE 37 Cb -0.11 -4.12 0.00 0.00 0.01 0.00 0.00 42.46 38.24 1qan s ILE 37 CO -0.01 -0.43 0.27 0.61 0.00 0.00 0.00 174.94 175.38 1qan n GLY 38 N 4.85 -0.79 0.29 6.18 0.00 0.52 -3.82 105.19 112.42 1qan n GLY 38 Ca -0.02 0.23 0.17 0.00 0.00 0.00 0.00 46.02 46.40 1qan n GLY 38 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1qan h SER 39 N 0.44 0.00 0.00 1.61 4.64 -1.80 -3.44 113.55 115.00 1qan h SER 39 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1qan h SER 39 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1qan h SER 39 CO 0.11 0.05 0.00 0.61 -0.87 0.00 0.00 176.83 176.73 1qan n GLY 40 N -0.73 4.34 1.09 -0.77 0.00 -1.26 -0.83 105.19 107.01 1qan n GLY 40 Ca -0.02 0.15 0.07 0.00 0.00 0.00 0.00 46.02 46.23 1qan n GLY 40 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qan n LYS 41 N 14.00 2.59 -0.91 1.61 5.02 -1.26 -4.24 118.16 134.97 1qan n LYS 41 Ca 0.00 -1.94 0.00 0.00 -2.02 0.00 0.00 58.31 54.35 1qan n LYS 41 Cb 0.00 -1.57 0.00 0.00 -0.02 0.00 0.00 35.03 33.44 1qan n LYS 41 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1qan n GLY 42 N 1.09 0.56 0.29 0.72 0.00 -0.01 -4.45 105.19 103.38 1qan n GLY 42 Ca 0.18 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.14 1qan n GLY 42 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1qan h HIS 43 N 0.00 0.97 0.09 1.61 3.86 -1.88 -0.57 115.15 119.23 1qan h HIS 43 Ca 0.00 -0.02 -0.28 0.00 -1.16 0.00 0.00 60.37 58.91 1qan h HIS 43 Cb 0.00 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 28.15 1qan h HIS 43 CO 0.00 0.68 -1.39 0.74 0.86 0.00 0.00 177.93 178.82 1qan h PHE 44 N 0.98 0.35 -0.82 2.45 0.04 -1.88 -3.32 116.94 114.74 1qan h PHE 44 Ca 0.25 -0.26 0.09 0.00 2.80 0.00 0.00 57.97 60.86 1qan h PHE 44 Cb 0.02 -0.01 -0.06 0.00 2.20 0.00 0.00 35.95 38.10 1qan h PHE 44 CO -0.00 1.26 0.53 1.15 -0.60 0.00 0.00 178.31 180.65 1qan h THR 45 N 0.05 0.97 -0.31 -1.55 2.02 -1.79 -0.33 112.91 111.97 1qan h THR 45 Ca -0.18 -0.27 -0.08 0.00 0.77 0.00 0.00 66.41 66.64 1qan h THR 45 Cb 1.97 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 68.47 1qan h THR 45 CO 0.16 0.14 -0.15 0.25 0.37 0.00 0.00 175.52 176.30 1qan h LEU 46 N 0.79 0.54 -0.02 2.58 5.85 -1.20 -2.40 115.31 121.46 1qan h LEU 46 Ca 0.37 -0.15 -0.24 0.00 0.84 0.00 0.00 57.88 58.70 1qan h LEU 46 Cb 0.40 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 1qan h LEU 46 CO -0.15 0.71 -1.08 -0.33 -0.34 0.00 0.00 178.44 177.26 1qan h GLU 47 N 0.50 0.19 -0.31 1.25 4.39 -1.32 -3.25 114.58 116.02 1qan h GLU 47 Ca 0.09 -0.28 -0.13 0.00 0.34 0.00 0.00 59.36 59.37 1qan h GLU 47 Cb 0.55 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.29 1qan h GLU 47 CO 0.04 1.09 -0.35 -0.07 -1.16 0.00 0.00 179.01 178.56 1qan h LEU 48 N 0.07 0.73 -1.05 1.33 3.38 -0.96 -1.04 115.31 117.78 1qan h LEU 48 Ca -0.08 -0.31 -0.07 0.00 0.09 0.00 0.00 57.88 57.51 1qan h LEU 48 Cb 1.79 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.33 1qan h LEU 48 CO 0.17 1.02 -0.36 -0.37 0.09 0.00 0.00 178.44 178.99 1qan h VAL 49 N 0.59 0.90 0.00 1.22 -1.51 -1.54 0.60 116.25 116.51 1qan h VAL 49 Ca 0.06 -1.42 -0.17 0.00 -1.23 0.00 0.00 66.70 63.94 1qan h VAL 49 Cb 0.87 1.86 -0.03 0.00 -2.13 0.00 0.00 31.29 31.86 1qan h VAL 49 CO 0.08 0.35 -0.90 1.56 -1.23 0.00 0.00 177.57 177.42 1qan h GLN 50 N 0.00 0.00 0.04 5.19 4.20 -1.55 -3.36 115.11 119.63 1qan h GLN 50 Ca -0.00 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.37 1qan h GLN 50 Cb 0.83 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.56 1qan h GLN 50 CO 0.05 0.71 -2.00 -2.13 -0.67 0.00 0.00 178.83 174.79 1qan n ARG 51 N -3.24 0.68 -3.96 1.46 3.00 -0.41 -5.00 116.66 109.19 1qan n ARG 51 Ca -0.01 0.22 -0.22 0.00 -0.00 0.00 0.00 57.85 57.83 1qan n ARG 51 Cb 0.86 -1.69 -0.05 0.00 0.00 0.00 0.00 32.46 31.58 1qan n ARG 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1qan h ASN 53 N 1.39 -0.01 -4.96 0.00 -0.00 -0.27 -3.43 115.58 108.30 1qan h ASN 53 Ca -0.44 -0.06 -0.08 0.00 -0.00 0.00 0.00 56.30 55.72 1qan h ASN 53 Cb 1.25 0.00 -0.20 0.00 -0.00 0.00 0.00 38.32 39.38 1qan h ASN 53 CO 0.62 0.05 -0.01 0.12 -0.00 0.00 0.00 177.43 178.21 1qan s PHE 54 N -5.94 -0.46 -0.05 0.67 2.19 -1.22 -4.79 117.98 108.38 1qan s PHE 54 Ca -0.13 0.79 0.01 0.00 0.33 0.00 0.00 56.93 57.92 1qan s PHE 54 Cb 0.05 0.27 0.02 0.00 -1.31 0.00 0.00 43.02 42.06 1qan s PHE 54 CO 0.66 -0.51 -0.04 0.08 1.83 0.00 0.00 175.22 177.24 1qan s VAL 55 N -1.19 0.55 -0.36 3.12 1.01 -0.37 -0.00 120.40 123.16 1qan s VAL 55 Ca -0.12 -0.10 -0.06 0.00 0.00 0.00 0.00 61.98 61.71 1qan s VAL 55 Cb -0.02 -0.59 0.06 0.00 0.00 0.00 0.00 36.38 35.82 1qan s VAL 55 CO 0.07 0.24 0.13 -0.89 0.00 0.00 0.00 175.10 174.65 1qan s THR 56 N 1.11 3.68 -0.18 3.92 2.01 0.11 -2.01 115.64 124.27 1qan s THR 56 Ca -0.08 -1.34 -0.23 0.00 0.31 0.00 0.00 61.69 60.35 1qan s THR 56 Cb -0.14 -3.17 -0.02 0.00 0.01 0.00 0.00 72.50 69.17 1qan s THR 56 CO -0.01 -0.30 0.72 0.00 -0.69 0.00 0.00 174.62 174.34 1qan s ALA 57 N 1.35 3.52 -0.36 7.40 0.00 -0.67 -1.37 121.76 131.63 1qan s ALA 57 Ca -0.00 -0.12 -0.10 0.00 0.00 0.00 0.00 51.96 51.74 1qan s ALA 57 Cb -0.21 -3.08 0.02 0.00 0.00 0.00 0.00 23.12 19.86 1qan s ALA 57 CO 0.01 -0.57 0.18 0.42 0.00 0.00 0.00 175.76 175.81 1qan s ILE 58 N 1.94 4.51 -0.08 0.00 1.01 -0.06 -0.86 121.20 127.66 1qan s ILE 58 Ca 0.33 -0.78 0.01 0.00 0.00 0.00 0.00 60.65 60.21 1qan s ILE 58 Cb -0.16 -3.47 0.02 0.00 0.01 0.00 0.00 42.46 38.86 1qan s ILE 58 CO 0.12 -0.16 -0.11 -0.70 0.00 0.00 0.00 174.94 174.09 1qan s GLU 59 N 1.55 1.68 0.07 2.79 2.56 -0.39 -0.35 118.70 126.62 1qan s GLU 59 Ca 0.02 -0.38 -0.15 0.00 0.00 0.00 0.00 54.97 54.47 1qan s GLU 59 Cb -0.19 -1.50 -0.21 0.00 2.00 0.00 0.00 34.13 34.24 1qan s GLU 59 CO 0.06 -0.07 1.21 0.97 -0.56 0.00 0.00 175.26 176.87 1qan h ILE 60 N 6.03 1.30 -2.38 -3.70 2.10 -1.81 -2.92 117.51 116.14 1qan h ILE 60 Ca -0.31 -2.14 -0.53 0.00 1.08 0.00 0.00 64.86 62.96 1qan h ILE 60 Cb 1.17 2.30 -0.04 0.00 -1.09 0.00 0.00 36.82 39.16 1qan h ILE 60 CO 0.46 0.66 1.29 -0.62 -1.08 0.00 0.00 178.15 178.85 1qan s ASP 61 N -7.16 5.63 0.30 2.19 -1.08 -1.26 -4.77 116.67 110.52 1qan s ASP 61 Ca -0.10 0.68 0.04 0.00 -0.52 0.00 0.00 52.55 52.65 1qan s ASP 61 Cb 0.07 -2.53 0.78 0.00 -1.46 0.00 0.00 42.92 39.78 1qan s ASP 61 CO 0.90 -2.03 1.63 -0.74 0.52 0.00 0.00 175.17 175.46 1qan h HIS 62 N 13.63 0.38 -0.01 -5.34 -0.00 -1.96 -1.75 115.15 120.09 1qan h HIS 62 Ca -0.29 0.05 -0.00 0.00 -0.00 0.00 0.00 60.37 60.13 1qan h HIS 62 Cb 1.15 -0.02 -0.00 0.00 -0.00 0.00 0.00 27.41 28.55 1qan h HIS 62 CO 1.01 -0.25 0.00 -0.22 -0.00 0.00 0.00 177.93 178.47 1qan h LYS 63 N 0.18 0.02 -0.23 5.26 1.63 -1.97 -2.99 116.57 118.46 1qan h LYS 63 Ca 0.59 -0.00 0.07 0.00 -0.85 0.00 0.00 60.65 60.45 1qan h LYS 63 Cb 1.24 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.86 1qan h LYS 63 CO -0.69 0.21 0.18 -0.07 -3.45 0.00 0.00 179.45 175.63 1qan h LEU 64 N -0.18 0.00 -1.04 5.20 3.38 -1.62 0.53 115.31 121.57 1qan h LEU 64 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1qan h LEU 64 Cb 0.20 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1qan h LEU 64 CO -0.00 0.00 0.22 0.00 0.09 0.00 0.00 178.44 178.75 1qan h LYS 66 N 0.89 0.22 -0.50 0.00 1.63 -0.96 -0.98 116.57 116.87 1qan h LYS 66 Ca 0.21 -0.11 0.04 0.00 -0.85 0.00 0.00 60.65 59.94 1qan h LYS 66 Cb 0.21 -0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.80 1qan h LYS 66 CO -0.01 0.61 0.26 1.15 -3.45 0.00 0.00 179.45 178.00 1qan h THR 67 N -0.16 0.98 -0.17 1.00 2.02 -1.13 0.19 112.91 115.64 1qan h THR 67 Ca 0.02 -0.18 0.03 0.00 0.77 0.00 0.00 66.41 67.05 1qan h THR 67 Cb 0.55 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 67.35 1qan h THR 67 CO 0.02 0.09 -0.02 0.74 0.37 0.00 0.00 175.52 176.72 1qan h THR 68 N 0.52 0.86 -0.59 3.16 2.02 -0.61 -1.00 112.91 117.26 1qan h THR 68 Ca 0.22 -0.01 0.09 0.00 0.77 0.00 0.00 66.41 67.48 1qan h THR 68 Cb 0.11 0.83 -0.07 0.00 -1.74 0.00 0.00 68.15 67.28 1qan h THR 68 CO -0.14 0.01 0.23 -0.33 0.37 0.00 0.00 175.52 175.65 1qan h GLU 69 N 0.03 0.40 -0.70 6.66 5.08 -0.21 -1.92 114.58 123.93 1qan h GLU 69 Ca 0.08 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1qan h GLU 69 Cb 0.11 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 1qan h GLU 69 CO -0.15 0.27 0.39 -0.91 -1.00 0.00 0.00 179.01 177.61 1qan h ASN 70 N 0.41 0.87 0.49 1.42 2.35 0.13 -2.03 115.58 119.22 1qan h ASN 70 Ca 0.30 -0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.94 1qan h ASN 70 Cb 0.35 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.50 1qan h ASN 70 CO -0.29 0.70 -0.10 0.50 -1.65 0.00 0.00 177.43 176.60 1qan h LYS 71 N 0.96 0.00 -0.65 0.81 3.64 -0.47 -2.78 116.57 118.08 1qan h LYS 71 Ca 0.25 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.53 1qan h LYS 71 Cb 0.02 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.78 1qan h LYS 71 CO -0.04 0.10 0.12 1.28 -2.27 0.00 0.00 179.45 178.64 1qan n LEU 72 N -3.45 5.89 -0.24 5.20 4.77 -0.78 -4.67 117.00 123.72 1qan n LEU 72 Ca -0.01 -3.08 -0.00 0.00 -0.03 0.00 0.00 56.01 52.89 1qan n LEU 72 Cb 0.25 -0.71 0.07 0.00 -2.33 0.00 0.00 43.42 40.69 1qan n LEU 72 CO 0.29 0.72 0.70 1.62 -1.33 0.00 0.00 177.39 179.38 1qan h VAL 73 N 3.35 0.25 -0.02 4.08 3.04 -1.36 -1.20 116.25 124.39 1qan h VAL 73 Ca 0.12 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.81 1qan h VAL 73 Cb 2.14 0.25 0.00 0.00 -2.01 0.00 0.00 31.29 31.67 1qan h VAL 73 CO 0.60 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.63 1qan n ASP 74 N -5.47 1.16 -4.11 3.17 8.00 -1.26 -4.86 116.55 113.18 1qan n ASP 74 Ca 0.09 -2.04 -0.15 0.00 0.71 0.00 0.00 54.79 53.40 1qan n ASP 74 Cb 0.37 -0.49 -0.11 0.00 -0.02 0.00 0.00 41.12 40.86 1qan n ASP 74 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1qan s HIS 75 N -1.10 0.89 -0.02 1.24 3.76 -0.46 -5.05 115.29 114.54 1qan s HIS 75 Ca 0.02 -0.53 0.03 0.00 -0.15 0.00 0.00 55.06 54.44 1qan s HIS 75 Cb 0.02 -0.51 -0.04 0.00 1.11 0.00 0.00 32.58 33.15 1qan s HIS 75 CO 0.01 -0.04 0.03 -0.25 -0.85 0.00 0.00 174.74 173.64 1qan n ASP 76 N 1.23 4.24 -2.82 1.40 8.00 -1.26 -4.83 116.55 122.51 1qan n ASP 76 Ca -0.21 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.06 1qan n ASP 76 Cb 0.55 0.78 -0.06 0.00 -0.02 0.00 0.00 41.12 42.36 1qan n ASP 76 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1qan n ASN 77 N -1.94 5.83 -3.00 -2.24 2.04 -1.26 -4.80 115.26 109.90 1qan n ASN 77 Ca -0.03 -2.38 -0.06 0.00 -0.44 0.00 0.00 54.58 51.67 1qan n ASN 77 Cb 0.42 -1.25 0.03 0.00 -2.53 0.00 0.00 39.78 36.45 1qan n ASN 77 CO 0.00 0.00 0.00 2.22 -0.44 0.00 0.00 177.26 179.04 1qan n PHE 78 N 3.41 -1.87 -3.51 -2.53 -1.74 -1.26 -1.24 117.46 108.73 1qan n PHE 78 Ca 0.51 -1.55 -0.13 0.00 -0.56 0.00 0.00 57.45 55.72 1qan n PHE 78 Cb 0.38 0.77 -0.04 0.00 1.52 0.00 0.00 39.48 42.11 1qan n PHE 78 CO 0.00 0.00 0.00 1.14 -0.56 0.00 0.00 176.76 177.34 1qan s GLN 79 N -2.07 0.96 -0.17 3.97 -2.07 -0.85 -4.93 119.66 114.49 1qan s GLN 79 Ca 0.19 -0.04 0.00 0.00 -1.82 0.00 0.00 55.36 53.69 1qan s GLN 79 Cb -0.04 0.45 0.04 0.00 -1.09 0.00 0.00 33.01 32.37 1qan s GLN 79 CO 0.09 -0.36 -0.08 0.08 -1.32 0.00 0.00 175.29 173.70 1qan s VAL 80 N -2.14 1.37 -0.18 3.63 1.01 -1.26 -1.67 120.40 121.16 1qan s VAL 80 Ca -0.03 -0.77 -0.07 0.00 0.00 0.00 0.00 61.98 61.11 1qan s VAL 80 Cb -0.01 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 1qan s VAL 80 CO -0.01 0.19 0.06 -0.76 0.00 0.00 0.00 175.10 174.58 1qan s LEU 81 N 1.52 3.80 -1.21 3.92 1.43 -0.04 -4.98 118.68 123.13 1qan s LEU 81 Ca 0.01 0.09 -0.13 0.00 -1.03 0.00 0.00 54.13 53.06 1qan s LEU 81 Cb -0.15 -1.95 0.18 0.00 0.03 0.00 0.00 46.19 44.29 1qan s LEU 81 CO -0.08 0.19 1.46 -3.20 0.23 0.00 0.00 176.35 174.95 1qan n ASN 82 N 3.43 5.24 -4.31 2.29 5.15 -1.26 -1.26 115.26 124.54 1qan n ASN 82 Ca -0.17 -3.00 -0.20 0.00 -0.60 0.00 0.00 54.58 50.61 1qan n ASN 82 Cb 0.52 -1.55 -0.10 0.00 -0.53 0.00 0.00 39.78 38.12 1qan n ASN 82 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1qan s LYS 83 N 1.27 1.63 -0.32 1.20 -0.14 -1.10 -4.91 119.74 117.37 1qan s LYS 83 Ca 0.42 -1.92 -0.12 0.00 -1.36 0.00 0.00 55.97 52.99 1qan s LYS 83 Cb -0.02 -0.57 -0.03 0.00 -1.68 0.00 0.00 37.83 35.53 1qan s LYS 83 CO -0.00 -0.30 0.22 0.34 -0.76 0.00 0.00 175.35 174.85 1qan s ASP 84 N -3.45 6.02 0.35 2.83 -1.08 -1.26 -2.86 116.67 117.22 1qan s ASP 84 Ca 0.35 -0.27 0.14 0.00 -0.52 0.00 0.00 52.55 52.25 1qan s ASP 84 Cb 0.07 -2.12 1.03 0.00 -1.46 0.00 0.00 42.92 40.43 1qan s ASP 84 CO 0.15 -0.16 1.71 -0.29 0.52 0.00 0.00 175.17 177.10 1qan h ILE 85 N 5.45 0.44 0.00 4.11 6.09 -1.96 0.61 117.51 132.24 1qan h ILE 85 Ca -0.33 -0.15 -0.00 0.00 -1.37 0.00 0.00 64.86 63.01 1qan h ILE 85 Cb 1.17 -0.04 -0.00 0.00 0.47 0.00 0.00 36.82 38.42 1qan h ILE 85 CO 0.60 0.08 -0.02 -0.07 -3.07 0.00 0.00 178.15 175.67 1qan h LEU 86 N 0.43 0.00 -2.42 2.19 4.07 -1.95 -2.07 115.31 115.57 1qan h LEU 86 Ca 0.67 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.63 1qan h LEU 86 Cb 1.51 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.25 1qan h LEU 86 CO -0.47 0.02 0.00 0.00 -1.08 0.00 0.00 178.44 176.91 1qan n GLN 87 N -3.42 2.07 -2.58 1.13 1.13 0.20 -5.03 117.38 110.88 1qan n GLN 87 Ca -0.03 -1.67 -0.36 0.00 -1.94 0.00 0.00 57.00 53.00 1qan n GLN 87 Cb 0.12 -1.21 -0.04 0.00 0.11 0.00 0.00 30.24 29.22 1qan n GLN 87 CO 0.00 0.00 0.00 0.12 -1.44 0.00 0.00 177.06 175.74 1qan s PHE 88 N -0.93 3.33 -0.34 1.08 5.36 -0.72 -4.95 117.98 120.81 1qan s PHE 88 Ca 0.16 1.66 -0.03 0.00 -0.96 0.00 0.00 56.93 57.77 1qan s PHE 88 Cb 0.09 -3.09 0.06 0.00 -0.34 0.00 0.00 43.02 39.74 1qan s PHE 88 CO 0.13 -0.49 0.07 -1.59 -1.46 0.00 0.00 175.22 171.87 1qan s LYS 89 N -2.44 2.35 0.59 10.12 -2.85 -1.26 -5.05 119.74 121.19 1qan s LYS 89 Ca 0.57 -1.40 -0.16 0.00 -1.00 0.00 0.00 55.97 53.98 1qan s LYS 89 Cb -0.21 -3.34 -0.04 0.00 -2.06 0.00 0.00 37.83 32.18 1qan s LYS 89 CO 0.27 -0.75 1.05 -0.06 0.10 0.00 0.00 175.35 175.96 1qan s PHE 90 N 1.25 3.02 0.70 1.78 0.08 -1.26 -5.02 117.98 118.53 1qan s PHE 90 Ca -0.01 1.51 -0.16 0.00 0.12 0.00 0.00 56.93 58.39 1qan s PHE 90 Cb -0.20 -3.00 0.02 0.00 -0.57 0.00 0.00 43.02 39.27 1qan s PHE 90 CO -0.01 -1.07 1.27 -2.14 -0.10 0.00 0.00 175.22 173.17 1qan s PRO 91 N -4.07 2.21 -0.01 0.24 0.02 -1.26 -4.94 135.00 127.20 1qan s PRO 91 Ca 0.63 1.98 0.08 0.00 0.02 0.00 0.00 61.00 63.70 1qan s PRO 91 Cb -0.16 -1.82 -0.10 0.00 0.02 0.00 0.00 34.50 32.44 1qan s PRO 91 CO 0.36 -1.83 0.23 1.63 -0.33 0.00 0.00 177.00 177.06 1qan n LYS 92 N -2.39 1.97 -2.58 5.54 5.02 -1.26 -4.50 118.16 119.96 1qan n LYS 92 Ca 0.15 -0.04 -0.22 0.00 -2.02 0.00 0.00 58.31 56.18 1qan n LYS 92 Cb 0.49 -1.05 0.00 0.00 -0.02 0.00 0.00 35.03 34.45 1qan n LYS 92 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1qan n ASN 93 N -1.53 3.79 -3.70 4.39 4.13 -1.26 -5.03 115.26 116.05 1qan n ASN 93 Ca -0.00 -3.45 -0.13 0.00 1.68 0.00 0.00 54.58 52.67 1qan n ASN 93 Cb 0.17 -0.49 -0.07 0.00 -1.54 0.00 0.00 39.78 37.84 1qan n ASN 93 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 1qan s GLN 94 N -3.40 0.83 -0.21 3.52 0.74 -1.26 -5.13 119.66 114.74 1qan s GLN 94 Ca 0.43 -0.27 -0.14 0.00 0.05 0.00 0.00 55.36 55.43 1qan s GLN 94 Cb 0.40 0.37 -0.04 0.00 1.10 0.00 0.00 33.01 34.84 1qan s GLN 94 CO -0.13 -0.26 0.30 -1.12 -0.55 0.00 0.00 175.29 173.53 1qan s SER 95 N -1.71 6.31 0.09 6.67 0.01 -1.26 -4.93 113.70 118.88 1qan s SER 95 Ca -0.09 0.36 -0.18 0.00 1.31 0.00 0.00 55.95 57.35 1qan s SER 95 Cb -0.02 -2.18 0.04 0.00 0.21 0.00 0.00 66.02 64.07 1qan s SER 95 CO 0.01 -0.01 0.44 -0.72 0.41 0.00 0.00 173.24 173.37 1qan s TYR 96 N 1.15 -0.28 0.28 2.43 1.13 -1.26 -4.43 117.35 116.37 1qan s TYR 96 Ca 0.14 0.10 0.08 0.00 -1.41 0.00 0.00 57.07 55.99 1qan s TYR 96 Cb -0.14 0.28 -0.06 0.00 -1.10 0.00 0.00 41.96 40.94 1qan s TYR 96 CO 0.06 -0.67 -0.10 0.15 -2.51 0.00 0.00 175.55 172.48 1qan s LYS 97 N -3.22 1.60 0.01 -3.49 1.02 -0.61 -2.49 119.74 112.56 1qan s LYS 97 Ca -0.01 -1.79 0.06 0.00 0.02 0.00 0.00 55.97 54.25 1qan s LYS 97 Cb 0.01 -1.38 -0.02 0.00 -0.52 0.00 0.00 37.83 35.92 1qan s LYS 97 CO -0.08 0.13 -0.19 0.42 -0.92 0.00 0.00 175.35 174.71 1qan s ILE 98 N -2.83 1.50 0.07 2.17 1.01 -0.04 -2.02 121.20 121.05 1qan s ILE 98 Ca 0.29 -0.93 0.05 0.00 0.00 0.00 0.00 60.65 60.06 1qan s ILE 98 Cb 0.01 -1.27 -0.03 0.00 0.01 0.00 0.00 42.46 41.18 1qan s ILE 98 CO 0.13 0.32 -0.14 0.12 0.00 0.00 0.00 174.94 175.37 1qan s PHE 99 N -0.58 1.18 -0.30 3.97 2.19 -0.95 0.45 117.98 123.94 1qan s PHE 99 Ca 0.07 -0.47 -0.18 0.00 0.33 0.00 0.00 56.93 56.67 1qan s PHE 99 Cb -0.08 -0.66 0.21 0.00 -1.31 0.00 0.00 43.02 41.18 1qan s PHE 99 CO 0.00 0.05 1.32 0.20 1.83 0.00 0.00 175.22 178.62 1qan s GLY 100 N -1.76 0.58 -0.61 13.12 0.00 -0.49 -0.86 107.32 117.31 1qan s GLY 100 Ca -0.02 3.79 -0.15 0.00 0.00 0.00 0.00 44.72 48.34 1qan s GLY 100 CO 0.02 2.55 0.56 0.21 0.00 0.00 0.00 173.10 176.44 1qan s ASN 101 N 0.75 6.30 0.17 1.64 2.47 -1.25 -1.20 114.94 123.83 1qan s ASN 101 Ca -0.04 -2.03 0.04 0.00 0.42 0.00 0.00 52.86 51.25 1qan s ASN 101 Cb -0.03 -2.20 -0.04 0.00 -1.45 0.00 0.00 41.25 37.54 1qan s ASN 101 CO -0.11 -0.78 0.22 0.27 -3.72 0.00 0.00 177.10 172.98 1qan s ILE 102 N 1.22 4.90 0.34 -5.21 -4.36 -1.14 -4.84 121.20 112.10 1qan s ILE 102 Ca 0.07 -0.94 -0.28 0.00 -0.26 0.00 0.00 60.65 59.24 1qan s ILE 102 Cb -0.25 -3.54 -0.10 0.00 1.25 0.00 0.00 42.46 39.82 1qan s ILE 102 CO -0.00 -0.14 1.29 -2.84 0.24 0.00 0.00 174.94 173.48 1qan s PRO 103 N -3.31 4.31 0.09 0.37 0.02 -1.26 -4.80 135.00 130.43 1qan s PRO 103 Ca 0.33 2.17 -0.17 0.00 0.02 0.00 0.00 61.00 63.35 1qan s PRO 103 Cb -0.10 -3.02 -0.08 0.00 0.02 0.00 0.00 34.50 31.32 1qan s PRO 103 CO 0.26 -0.21 1.47 -0.92 -0.33 0.00 0.00 177.00 177.28 1qan h TYR 104 N 3.29 0.64 -0.21 6.54 3.20 -1.95 -2.90 116.97 125.57 1qan h TYR 104 Ca -0.49 -0.15 0.06 0.00 3.14 0.00 0.00 58.73 61.30 1qan h TYR 104 Cb 1.23 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 39.34 1qan h TYR 104 CO 0.56 0.78 0.42 -2.95 -1.64 0.00 0.00 178.16 175.33 1qan h ASN 105 N 0.31 0.00 0.00 -2.11 -1.07 -2.00 -2.06 115.58 108.65 1qan h ASN 105 Ca 0.07 0.00 -0.00 0.00 0.07 0.00 0.00 56.30 56.43 1qan h ASN 105 Cb 0.60 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.84 1qan h ASN 105 CO 0.03 0.00 -0.26 2.30 0.07 0.00 0.00 177.43 179.58 1qan n ILE 106 N -3.28 1.02 -0.10 6.14 -5.35 -1.22 -4.83 119.36 111.75 1qan n ILE 106 Ca 0.03 -1.26 -0.06 0.00 -0.27 0.00 0.00 62.75 61.18 1qan n ILE 106 Cb 0.53 0.12 0.01 0.00 -1.74 0.00 0.00 39.64 38.56 1qan n ILE 106 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1qan h SER 107 N 0.05 0.10 0.05 7.28 0.02 -1.15 0.93 113.55 120.83 1qan h SER 107 Ca -0.01 0.04 0.03 0.00 -0.84 0.00 0.00 61.79 61.01 1qan h SER 107 Cb 1.20 0.04 -0.04 0.00 0.14 0.00 0.00 62.40 63.73 1qan h SER 107 CO 0.00 0.09 -0.28 0.74 -1.14 0.00 0.00 176.83 176.25 1qan h THR 108 N 0.24 0.39 -0.99 -2.27 2.02 -1.88 0.24 112.91 110.67 1qan h THR 108 Ca 0.16 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.41 1qan h THR 108 Cb 0.14 0.39 -0.07 0.00 -1.74 0.00 0.00 68.15 66.87 1qan h THR 108 CO -0.17 0.00 0.63 0.44 0.37 0.00 0.00 175.52 176.79 1qan h ASP 109 N -0.45 1.00 -0.09 4.18 3.45 -1.82 -0.28 116.42 122.41 1qan h ASP 109 Ca 0.05 0.02 -0.02 0.00 0.43 0.00 0.00 57.03 57.51 1qan h ASP 109 Cb 0.51 -0.20 -0.00 0.00 -0.56 0.00 0.00 39.33 39.08 1qan h ASP 109 CO -0.20 0.62 -0.01 0.40 -1.57 0.00 0.00 179.24 178.48 1qan h ILE 110 N 1.13 1.27 -0.58 0.35 2.04 -0.04 -1.31 117.51 120.37 1qan h ILE 110 Ca 0.44 -0.87 -0.02 0.00 1.00 0.00 0.00 64.86 65.40 1qan h ILE 110 Cb 0.21 1.68 -0.03 0.00 -0.74 0.00 0.00 36.82 37.95 1qan h ILE 110 CO -0.19 0.25 0.28 0.40 0.00 0.00 0.00 178.15 178.88 1qan h ILE 111 N -0.14 1.21 -0.90 -0.67 2.04 -0.20 -0.64 117.51 118.20 1qan h ILE 111 Ca 0.02 -0.60 -0.01 0.00 1.00 0.00 0.00 64.86 65.28 1qan h ILE 111 Cb 0.39 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 1qan h ILE 111 CO 0.01 0.24 0.51 0.03 0.00 0.00 0.00 178.15 178.94 1qan h ARG 112 N 0.79 1.25 -0.49 2.37 3.08 -1.03 -0.16 114.38 120.19 1qan h ARG 112 Ca 0.20 -0.13 -0.06 0.00 0.07 0.00 0.00 59.98 60.06 1qan h ARG 112 Cb 0.12 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 1qan h ARG 112 CO -0.02 0.90 0.09 -0.22 -1.07 0.00 0.00 179.97 179.64 1qan h LYS 113 N 1.26 0.80 0.00 0.04 1.63 -0.83 -0.15 116.57 119.32 1qan h LYS 113 Ca 0.32 -0.21 -0.06 0.00 -0.85 0.00 0.00 60.65 59.86 1qan h LYS 113 Cb -0.00 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.52 1qan h LYS 113 CO -0.05 0.80 -0.60 -0.84 -3.45 0.00 0.00 179.45 175.30 1qan h ILE 114 N 0.68 0.31 0.14 2.00 3.07 -0.86 -0.74 117.51 122.12 1qan h ILE 114 Ca 0.15 -1.49 -0.35 0.00 1.55 0.00 0.00 64.86 64.72 1qan h ILE 114 Cb 0.38 2.00 -0.01 0.00 -0.27 0.00 0.00 36.82 38.92 1qan h ILE 114 CO 0.01 0.18 -1.86 0.58 -1.05 0.00 0.00 178.15 176.01 1qan h VAL 115 N 0.00 0.76 0.00 0.16 2.07 -1.04 -3.33 116.25 114.87 1qan h VAL 115 Ca -0.03 -2.39 0.00 0.00 0.82 0.00 0.00 66.70 65.10 1qan h VAL 115 Cb 1.20 2.60 0.00 0.00 -1.52 0.00 0.00 31.29 33.56 1qan h VAL 115 CO 0.03 0.86 -1.44 0.49 0.02 0.00 0.00 177.57 177.53 1qan n PHE 116 N -3.58 0.24 -1.97 1.57 3.72 -0.07 -4.45 117.46 112.91 1qan n PHE 116 Ca -0.29 0.07 -0.04 0.00 -0.05 0.00 0.00 57.45 57.14 1qan n PHE 116 Cb 1.04 -0.50 0.11 0.00 -0.94 0.00 0.00 39.48 39.18 1qan n PHE 116 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1qan n ASP 117 N -2.16 2.57 -3.65 4.37 2.03 -0.28 -5.02 116.55 114.42 1qan n ASP 117 Ca -0.01 -3.41 -0.10 0.00 0.52 0.00 0.00 54.79 51.79 1qan n ASP 117 Cb 0.50 -0.44 -0.03 0.00 -0.72 0.00 0.00 41.12 40.44 1qan n ASP 117 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1qan s SER 118 N -3.23 -0.37 -0.21 1.67 1.04 -1.23 -4.59 113.70 106.78 1qan s SER 118 Ca 0.40 -0.33 0.12 0.00 0.48 0.00 0.00 55.95 56.62 1qan s SER 118 Cb 0.38 0.62 0.42 0.00 0.10 0.00 0.00 66.02 67.54 1qan s SER 118 CO -0.05 -1.08 1.26 2.30 0.98 0.00 0.00 173.24 176.64 1qan n ILE 119 N -0.38 2.22 -1.70 -1.02 -5.35 -1.26 -4.74 119.36 107.13 1qan n ILE 119 Ca -0.11 -2.99 -0.44 0.00 -0.27 0.00 0.00 62.75 58.94 1qan n ILE 119 Cb 0.63 -0.25 -0.03 0.00 -1.74 0.00 0.00 39.64 38.24 1qan n ILE 119 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1qan n ALA 120 N -1.15 2.08 0.35 -1.28 0.00 -1.26 -4.79 120.51 114.45 1qan n ALA 120 Ca 0.21 0.42 0.12 0.00 0.00 0.00 0.00 53.44 54.19 1qan n ALA 120 Cb 0.75 -2.43 0.14 0.00 0.00 0.00 0.00 19.45 17.91 1qan n ALA 120 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1qan h ASP 121 N 5.96 0.00 -3.35 0.00 2.03 -1.86 -3.42 116.42 115.77 1qan h ASP 121 Ca -0.44 -0.07 -0.23 0.00 -0.73 0.00 0.00 57.03 55.55 1qan h ASP 121 Cb 1.23 0.00 -0.32 0.00 -0.83 0.00 0.00 39.33 39.42 1qan h ASP 121 CO 0.89 0.03 -0.57 -0.70 -1.03 0.00 0.00 179.24 177.87 1qan s GLU 122 N -3.23 0.12 -0.09 4.15 2.12 -1.26 -0.40 118.70 120.11 1qan s GLU 122 Ca 0.05 0.45 0.01 0.00 0.36 0.00 0.00 54.97 55.84 1qan s GLU 122 Cb 0.10 -0.17 0.02 0.00 0.26 0.00 0.00 34.13 34.34 1qan s GLU 122 CO 0.72 -0.18 -0.11 0.42 -0.54 0.00 0.00 175.26 175.56 1qan s ILE 123 N 1.35 1.18 -0.22 -3.70 1.01 0.61 -0.87 121.20 120.56 1qan s ILE 123 Ca -0.08 -0.46 -0.04 0.00 0.00 0.00 0.00 60.65 60.08 1qan s ILE 123 Cb -0.11 -1.11 -0.01 0.00 0.01 0.00 0.00 42.46 41.24 1qan s ILE 123 CO -0.07 0.38 -0.03 -0.31 0.00 0.00 0.00 174.94 174.91 1qan s TYR 124 N 1.04 2.97 0.04 3.97 2.02 0.17 0.24 117.35 127.80 1qan s TYR 124 Ca -0.07 -0.81 0.04 0.00 -0.37 0.00 0.00 57.07 55.86 1qan s TYR 124 Cb -0.15 -2.10 -0.02 0.00 -0.40 0.00 0.00 41.96 39.29 1qan s TYR 124 CO -0.01 -0.47 -0.12 -0.51 -1.57 0.00 0.00 175.55 172.86 1qan s LEU 125 N 1.38 2.18 -0.29 -1.29 1.43 -0.59 -1.39 118.68 120.11 1qan s LEU 125 Ca 0.05 -0.45 -0.07 0.00 -1.03 0.00 0.00 54.13 52.63 1qan s LEU 125 Cb -0.14 -0.49 0.01 0.00 0.03 0.00 0.00 46.19 45.59 1qan s LEU 125 CO -0.02 -0.01 0.07 -0.63 0.23 0.00 0.00 176.35 176.00 1qan s ILE 126 N -0.90 3.96 0.26 -0.59 1.01 -0.34 -0.50 121.20 124.09 1qan s ILE 126 Ca -0.01 -0.64 0.02 0.00 0.00 0.00 0.00 60.65 60.02 1qan s ILE 126 Cb -0.08 -3.01 -0.05 0.00 0.01 0.00 0.00 42.46 39.33 1qan s ILE 126 CO 0.01 0.12 0.08 0.68 0.00 0.00 0.00 174.94 175.83 1qan s VAL 127 N 1.51 0.67 0.33 2.92 -7.23 -0.57 -2.88 120.40 115.15 1qan s VAL 127 Ca 0.03 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 57.91 1qan s VAL 127 Cb -0.17 -2.59 -0.11 0.00 0.56 0.00 0.00 36.38 34.06 1qan s VAL 127 CO 0.02 -0.06 1.54 1.21 -0.31 0.00 0.00 175.10 177.50 1qan n GLU 128 N -0.47 2.68 -0.24 4.82 0.00 -1.26 0.69 120.64 126.86 1qan n GLU 128 Ca -0.01 0.95 0.01 0.00 0.00 0.00 0.00 57.16 58.11 1qan n GLU 128 Cb 0.66 -2.70 0.09 0.00 0.00 0.00 0.00 31.44 29.48 1qan n GLU 128 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.13 176.21 1qan h TYR 129 N 3.96 -0.34 -0.36 4.31 3.20 -1.25 -0.80 116.97 125.68 1qan h TYR 129 Ca -0.49 0.06 -0.13 0.00 3.14 0.00 0.00 58.73 61.31 1qan h TYR 129 Cb 1.23 0.26 -0.01 0.00 1.54 0.00 0.00 36.73 39.76 1qan h TYR 129 CO 0.56 -0.30 -0.31 0.78 -1.64 0.00 0.00 178.16 177.25 1qan h GLY 130 N 0.01 0.85 0.85 1.82 0.00 -1.91 -2.62 103.07 102.07 1qan h GLY 130 Ca 0.35 -0.80 0.02 0.00 0.00 0.00 0.00 47.33 46.89 1qan h GLY 130 CO -0.72 0.72 -0.00 -2.75 0.00 0.00 0.00 176.54 173.79 1qan h PHE 131 N 0.66 -0.01 -0.95 5.60 3.57 -1.63 -1.33 116.94 122.86 1qan h PHE 131 Ca 0.07 0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.69 1qan h PHE 131 Cb 0.85 0.02 -0.07 0.00 2.79 0.00 0.00 35.95 39.53 1qan h PHE 131 CO 0.05 -0.01 0.61 0.00 -2.23 0.00 0.00 178.31 176.72 1qan h ALA 132 N 1.08 1.59 -0.42 2.41 0.00 -1.09 -1.75 119.26 121.09 1qan h ALA 132 Ca 0.05 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1qan h ALA 132 Cb 0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1qan h ALA 132 CO -0.08 0.20 -0.14 0.87 0.00 0.00 0.00 179.25 180.09 1qan h LYS 133 N 0.94 0.84 -0.90 0.00 1.57 -1.02 -2.87 116.57 115.13 1qan h LYS 133 Ca 0.45 -0.34 0.04 0.00 -1.87 0.00 0.00 60.65 58.93 1qan h LYS 133 Cb 0.45 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.67 1qan h LYS 133 CO -0.21 0.97 0.59 0.00 -0.57 0.00 0.00 179.45 180.23 1qan h ARG 134 N 0.66 1.07 -0.43 3.15 3.08 -0.40 -2.04 114.38 119.47 1qan h ARG 134 Ca 0.10 -0.06 0.12 0.00 0.07 0.00 0.00 59.98 60.21 1qan h ARG 134 Cb 0.69 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 1qan h ARG 134 CO 0.05 0.71 0.35 -0.07 -1.07 0.00 0.00 179.97 179.94 1qan h LEU 135 N 1.11 0.00 -1.82 3.04 3.38 -1.17 0.37 115.31 120.22 1qan h LEU 135 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1qan h LEU 135 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1qan h LEU 135 CO -0.11 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.60 1qan n LEU 136 N -4.13 2.73 -4.50 1.67 4.77 -0.78 -4.55 117.00 112.22 1qan n LEU 136 Ca 0.07 -1.13 -0.43 0.00 -0.03 0.00 0.00 56.01 54.49 1qan n LEU 136 Cb 0.54 -0.17 -0.07 0.00 -2.33 0.00 0.00 43.42 41.40 1qan n LEU 136 CO 0.33 0.57 0.37 0.21 -1.33 0.00 0.00 177.39 177.54 1qan s ASN 137 N -1.58 6.29 0.00 -1.43 3.84 0.13 -4.92 114.94 117.27 1qan s ASN 137 Ca 0.35 -0.48 0.02 0.00 0.21 0.00 0.00 52.86 52.97 1qan s ASN 137 Cb 0.21 -2.31 0.13 0.00 -0.55 0.00 0.00 41.25 38.72 1qan s ASN 137 CO 0.30 -0.81 0.49 0.35 -2.79 0.00 0.00 177.10 174.63 1qan n THR 138 N 5.80 0.00 1.01 -5.21 -2.24 -1.26 -1.66 114.28 110.71 1qan n THR 138 Ca -0.03 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.86 1qan n THR 138 Cb 0.47 -0.44 -0.06 0.00 -2.10 0.00 0.00 70.33 68.21 1qan n THR 138 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1qan n LYS 139 N -0.60 0.29 -4.46 -0.78 5.02 -1.26 -4.92 118.16 111.44 1qan n LYS 139 Ca 0.02 -0.23 -0.33 0.00 -2.02 0.00 0.00 58.31 55.74 1qan n LYS 139 Cb 0.01 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.42 1qan n LYS 139 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1qan s ARG 140 N -2.87 2.67 0.12 1.97 0.52 -0.66 -4.75 118.95 115.94 1qan s ARG 140 Ca 0.11 -0.64 -0.22 0.00 -0.52 0.00 0.00 55.73 54.46 1qan s ARG 140 Cb 0.17 -2.57 -0.05 0.00 0.52 0.00 0.00 34.95 33.01 1qan s ARG 140 CO 0.78 0.63 1.69 0.66 0.02 0.00 0.00 175.30 179.08 1qan h SER 141 N 4.71 -0.33 -0.61 0.23 4.64 -1.89 -2.82 113.55 117.48 1qan h SER 141 Ca -0.49 0.06 0.12 0.00 -0.47 0.00 0.00 61.79 61.02 1qan h SER 141 Cb 1.17 0.16 -0.09 0.00 -0.31 0.00 0.00 62.40 63.33 1qan h SER 141 CO 0.54 -0.15 0.12 0.25 -0.87 0.00 0.00 176.83 176.72 1qan h LEU 142 N -0.14 -0.03 -0.42 5.97 5.85 -1.96 -0.49 115.31 124.10 1qan h LEU 142 Ca 0.07 0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.95 1qan h LEU 142 Cb 0.24 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 1qan h LEU 142 CO -0.18 -0.01 0.18 0.00 -0.34 0.00 0.00 178.44 178.10 1qan h ALA 143 N 1.50 0.51 -0.36 1.25 0.00 -1.75 -0.72 119.26 119.69 1qan h ALA 143 Ca 0.32 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.17 1qan h ALA 143 Cb 0.49 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1qan h ALA 143 CO -0.43 -0.19 -0.17 -0.07 0.00 0.00 0.00 179.25 178.40 1qan h LEU 144 N 0.38 0.65 -0.34 0.00 3.38 -1.05 -0.44 115.31 117.89 1qan h LEU 144 Ca 0.19 -0.20 -0.12 0.00 0.09 0.00 0.00 57.88 57.83 1qan h LEU 144 Cb 0.13 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1qan h LEU 144 CO -0.16 0.83 -0.25 -0.26 0.09 0.00 0.00 178.44 178.69 1qan h PHE 145 N 0.59 0.91 -0.46 1.13 0.04 -0.75 -3.22 116.94 115.18 1qan h PHE 145 Ca 0.10 -0.25 -0.12 0.00 2.80 0.00 0.00 57.97 60.49 1qan h PHE 145 Cb 0.62 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.56 1qan h PHE 145 CO 0.03 1.01 -0.18 -0.07 -0.60 0.00 0.00 178.31 178.50 1qan h LEU 146 N 0.56 0.95 -1.03 1.54 3.38 -0.99 -3.15 115.31 116.57 1qan h LEU 146 Ca 0.07 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1qan h LEU 146 Cb 0.82 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1qan h LEU 146 CO 0.07 1.13 0.00 0.23 0.09 0.00 0.00 178.44 179.95 1qan n MET 147 N -4.18 0.13 0.16 1.13 2.81 -0.19 -1.27 117.12 115.72 1qan n MET 147 Ca -0.00 0.55 0.13 0.00 -1.81 0.00 0.00 57.70 56.56 1qan n MET 147 Cb 0.43 -1.87 0.29 0.00 -0.71 0.00 0.00 33.22 31.36 1qan n MET 147 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1qan h ALA 148 N 2.09 1.00 0.00 3.04 0.00 -1.59 -3.37 119.26 120.44 1qan h ALA 148 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1qan h ALA 148 Cb 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1qan h ALA 148 CO 0.00 0.00 -1.41 0.39 0.00 0.00 0.00 179.25 178.23 1qan n GLU 149 N -2.67 2.66 -4.06 0.00 -0.58 -0.40 -1.88 120.64 113.71 1qan n GLU 149 Ca 0.05 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.72 1qan n GLU 149 Cb 0.48 -1.15 -0.10 0.00 -0.57 0.00 0.00 31.44 30.10 1qan n GLU 149 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 1qan s VAL 150 N -2.14 0.19 -0.02 2.62 -7.23 -0.47 -2.26 120.40 111.09 1qan s VAL 150 Ca -0.04 -1.57 -0.16 0.00 -1.81 0.00 0.00 61.98 58.40 1qan s VAL 150 Cb 0.02 -1.21 -0.05 0.00 0.56 0.00 0.00 36.38 35.69 1qan s VAL 150 CO 0.23 -0.87 0.43 -1.81 -0.31 0.00 0.00 175.10 172.77 1qan s ASP 151 N -2.56 6.80 -0.09 4.85 1.01 -0.02 -4.27 116.67 122.39 1qan s ASP 151 Ca 0.01 0.95 0.02 0.00 0.71 0.00 0.00 52.55 54.24 1qan s ASP 151 Cb 0.04 -2.26 -0.02 0.00 1.01 0.00 0.00 42.92 41.68 1qan s ASP 151 CO -0.08 0.26 -0.13 -0.63 0.21 0.00 0.00 175.17 174.80 1qan s ILE 152 N -0.73 3.11 -0.02 0.77 1.01 -1.26 -1.22 121.20 122.87 1qan s ILE 152 Ca 0.24 -0.67 -0.01 0.00 0.00 0.00 0.00 60.65 60.21 1qan s ILE 152 Cb -0.17 -2.27 0.01 0.00 0.01 0.00 0.00 42.46 40.05 1qan s ILE 152 CO 0.13 0.56 0.04 -0.44 0.00 0.00 0.00 174.94 175.23 1qan s SER 153 N -0.21 -0.01 -0.37 3.58 0.01 -0.44 -4.99 113.70 111.26 1qan s SER 153 Ca 0.01 0.08 -0.15 0.00 1.31 0.00 0.00 55.95 57.20 1qan s SER 153 Cb -0.13 0.04 -0.00 0.00 0.21 0.00 0.00 66.02 66.14 1qan s SER 153 CO 0.03 -0.06 0.36 -0.63 0.41 0.00 0.00 173.24 173.35 1qan s ILE 154 N 0.41 5.17 -0.05 1.44 1.01 -1.26 -0.08 121.20 127.85 1qan s ILE 154 Ca -0.03 -0.17 -0.11 0.00 0.00 0.00 0.00 60.65 60.34 1qan s ILE 154 Cb -0.05 -3.88 -0.31 0.00 0.01 0.00 0.00 42.46 38.24 1qan s ILE 154 CO -0.01 -0.19 0.67 -0.07 0.00 0.00 0.00 174.94 175.34 1qan h LEU 155 N 8.78 0.61 -7.39 2.97 3.38 -0.65 -3.49 115.31 119.52 1qan h LEU 155 Ca -0.29 -0.92 0.19 0.00 0.09 0.00 0.00 57.88 56.95 1qan h LEU 155 Cb 1.13 -0.20 -0.11 0.00 0.09 0.00 0.00 40.66 41.57 1qan h LEU 155 CO 0.72 1.78 0.56 -0.94 0.09 0.00 0.00 178.44 180.64 1qan s SER 156 N -7.29 -0.20 -0.11 -0.43 1.04 -1.15 -4.98 113.70 100.58 1qan s SER 156 Ca -0.16 -0.24 -0.12 0.00 0.48 0.00 0.00 55.95 55.92 1qan s SER 156 Cb 0.05 0.39 -0.05 0.00 0.10 0.00 0.00 66.02 66.52 1qan s SER 156 CO 0.85 -0.70 0.27 -0.32 0.98 0.00 0.00 173.24 174.32 1qan s MET 157 N -3.07 3.92 -0.36 4.02 1.75 -1.26 -0.51 119.30 123.79 1qan s MET 157 Ca 0.10 0.10 -0.05 0.00 -1.25 0.00 0.00 55.69 54.59 1qan s MET 157 Cb -0.00 -3.30 0.06 0.00 2.84 0.00 0.00 34.83 34.43 1qan s MET 157 CO -0.02 0.53 0.14 0.08 -0.65 0.00 0.00 175.02 175.10 1qan s VAL 158 N -0.41 3.64 0.28 10.11 1.01 0.93 -4.90 120.40 131.05 1qan s VAL 158 Ca 0.18 -1.41 -0.30 0.00 0.00 0.00 0.00 61.98 60.44 1qan s VAL 158 Cb -0.14 -3.18 -0.13 0.00 0.00 0.00 0.00 36.38 32.94 1qan s VAL 158 CO 0.06 -0.33 1.46 -2.65 0.00 0.00 0.00 175.10 173.64 1qan n PRO 159 N 4.76 2.30 0.20 2.72 -0.02 -1.26 -1.56 135.00 142.14 1qan n PRO 159 Ca -0.10 0.82 0.18 0.00 -2.02 0.00 0.00 63.50 62.38 1qan n PRO 159 Cb 0.43 -2.51 0.82 0.00 -0.02 0.00 0.00 33.50 32.22 1qan n PRO 159 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 1qan h ARG 160 N 4.13 0.00 0.00 -0.52 0.11 -1.91 0.16 114.38 116.35 1qan h ARG 160 Ca -0.46 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.62 1qan h ARG 160 Cb 1.26 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.34 1qan h ARG 160 CO 0.75 0.00 0.00 0.93 0.10 0.00 0.00 179.97 181.75 1qan h GLU 161 N 0.00 0.00 0.00 0.08 3.07 -1.91 -2.23 114.58 113.59 1qan h GLU 161 Ca 0.10 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.96 1qan h GLU 161 Cb 0.72 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.63 1qan h GLU 161 CO -0.00 0.00 -0.03 1.88 -1.40 0.00 0.00 179.01 179.46 1qan h TYR 162 N 0.00 0.00 -2.73 4.33 -1.99 -1.31 -3.45 116.97 111.82 1qan h TYR 162 Ca 0.00 0.00 -0.50 0.00 2.00 0.00 0.00 58.73 60.23 1qan h TYR 162 Cb 0.41 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.13 1qan h TYR 162 CO 0.00 0.03 -0.30 -0.06 -0.00 0.00 0.00 178.16 177.83 1qan s PHE 163 N -3.44 3.48 -0.23 4.88 0.08 -0.84 -4.18 117.98 117.73 1qan s PHE 163 Ca 0.04 0.29 -0.08 0.00 0.12 0.00 0.00 56.93 57.30 1qan s PHE 163 Cb 0.07 -1.83 0.10 0.00 -0.57 0.00 0.00 43.02 40.80 1qan s PHE 163 CO 0.61 0.30 0.50 -1.58 -0.10 0.00 0.00 175.22 174.94 1qan s HIS 164 N -2.05 -0.99 0.48 0.36 5.65 -0.46 -3.55 115.29 114.74 1qan s HIS 164 Ca 0.38 1.80 -0.23 0.00 0.25 0.00 0.00 55.06 57.26 1qan s HIS 164 Cb -0.10 0.48 -0.08 0.00 -1.18 0.00 0.00 32.58 31.69 1qan s HIS 164 CO 0.31 -0.55 1.15 -2.30 -0.65 0.00 0.00 174.74 172.71 1qan n PRO 165 N 5.41 1.52 -2.31 2.88 -0.02 -1.26 -2.22 135.00 139.01 1qan n PRO 165 Ca -0.10 0.55 -0.43 0.00 -2.02 0.00 0.00 63.50 61.51 1qan n PRO 165 Cb 0.49 -2.28 -0.02 0.00 -0.02 0.00 0.00 33.50 31.67 1qan n PRO 165 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1qan s LYS 166 N -2.39 3.61 1.05 -0.52 2.20 -1.23 -4.82 119.74 117.65 1qan s LYS 166 Ca 0.66 1.09 -0.12 0.00 -0.36 0.00 0.00 55.97 57.24 1qan s LYS 166 Cb -0.49 -4.02 0.22 0.00 -1.51 0.00 0.00 37.83 32.03 1qan s LYS 166 CO 0.54 -1.52 1.07 -1.25 -0.36 0.00 0.00 175.35 173.83 1qan s PRO 167 N 4.89 -0.05 0.18 4.03 0.04 -1.26 -4.96 135.00 137.87 1qan s PRO 167 Ca 0.63 0.98 -0.05 0.00 0.04 0.00 0.00 61.00 62.60 1qan s PRO 167 Cb -0.16 -1.64 0.07 0.00 0.04 0.00 0.00 34.50 32.81 1qan s PRO 167 CO 0.31 -3.18 1.48 0.87 0.04 0.00 0.00 177.00 176.53 1qan h LYS 168 N -2.24 0.62 -6.00 4.56 1.57 -1.96 -3.46 116.57 109.66 1qan h LYS 168 Ca -0.55 -0.39 -0.60 0.00 -1.87 0.00 0.00 60.65 57.24 1qan h LYS 168 Cb 1.31 0.05 -0.12 0.00 0.08 0.00 0.00 32.23 33.54 1qan h LYS 168 CO 0.49 1.00 -0.66 0.14 -0.57 0.00 0.00 179.45 179.86 1qan s VAL 169 N -4.01 2.45 0.86 0.50 -7.23 -1.26 -5.05 120.40 106.65 1qan s VAL 169 Ca -0.08 -2.12 -0.12 0.00 -1.81 0.00 0.00 61.98 57.85 1qan s VAL 169 Cb 0.11 -2.68 0.11 0.00 0.56 0.00 0.00 36.38 34.48 1qan s VAL 169 CO 0.85 -0.22 1.11 0.20 -0.31 0.00 0.00 175.10 176.72 1qan s ASN 170 N -3.64 3.90 0.47 4.85 0.02 -1.26 -4.59 114.94 114.68 1qan s ASN 170 Ca 0.33 1.24 0.04 0.00 -1.02 0.00 0.00 52.86 53.45 1qan s ASN 170 Cb 0.01 -1.92 -0.04 0.00 0.02 0.00 0.00 41.25 39.31 1qan s ASN 170 CO 0.18 -2.34 0.02 -0.44 0.02 0.00 0.00 177.10 174.54 1qan s SER 171 N -3.81 4.05 0.03 -1.22 0.01 -0.60 -0.89 113.70 111.27 1qan s SER 171 Ca 0.62 -1.51 0.02 0.00 1.31 0.00 0.00 55.95 56.39 1qan s SER 171 Cb -0.15 0.10 -0.02 0.00 0.21 0.00 0.00 66.02 66.16 1qan s SER 171 CO 0.55 -0.68 -0.06 -0.44 0.41 0.00 0.00 173.24 173.01 1qan s SER 172 N -3.82 0.68 -0.24 2.44 0.01 0.22 -0.05 113.70 112.94 1qan s SER 172 Ca 0.20 -0.48 -0.14 0.00 1.31 0.00 0.00 55.95 56.84 1qan s SER 172 Cb 0.05 0.04 -0.04 0.00 0.21 0.00 0.00 66.02 66.28 1qan s SER 172 CO 0.10 -0.19 0.33 -0.22 0.41 0.00 0.00 173.24 173.67 1qan s LEU 173 N -1.37 4.09 0.24 2.44 2.96 0.33 -1.51 118.68 125.86 1qan s LEU 173 Ca -0.10 0.31 0.12 0.00 -0.22 0.00 0.00 54.13 54.24 1qan s LEU 173 Cb -0.09 -2.37 -0.05 0.00 0.50 0.00 0.00 46.19 44.18 1qan s LEU 173 CO 0.00 -0.09 -0.22 0.27 -1.32 0.00 0.00 176.35 174.99 1qan s ILE 174 N 1.59 2.40 -0.05 6.68 -4.36 0.34 0.14 121.20 127.94 1qan s ILE 174 Ca 0.14 -2.23 0.03 0.00 -0.26 0.00 0.00 60.65 58.33 1qan s ILE 174 Cb -0.15 -2.21 0.00 0.00 1.25 0.00 0.00 42.46 41.35 1qan s ILE 174 CO 0.08 -0.27 -0.15 -0.60 0.24 0.00 0.00 174.94 174.24 1qan s ARG 175 N -3.13 1.76 -0.15 0.37 3.52 0.89 -1.53 118.95 120.67 1qan s ARG 175 Ca 0.26 -0.52 0.01 0.00 -0.13 0.00 0.00 55.73 55.35 1qan s ARG 175 Cb -0.06 -1.48 0.00 0.00 -1.56 0.00 0.00 34.95 31.85 1qan s ARG 175 CO 0.12 0.14 -0.18 -0.51 -0.81 0.00 0.00 175.30 174.07 1qan s LEU 176 N 0.32 2.34 -0.16 -0.88 1.43 0.14 -1.33 118.68 120.54 1qan s LEU 176 Ca -0.09 -0.52 0.01 0.00 -1.03 0.00 0.00 54.13 52.50 1qan s LEU 176 Cb -0.13 -1.52 0.01 0.00 0.03 0.00 0.00 46.19 44.57 1qan s LEU 176 CO 0.03 0.08 -0.19 0.20 0.23 0.00 0.00 176.35 176.71 1qan s ASN 177 N 0.82 3.34 0.52 2.29 -0.87 -0.36 -0.29 114.94 120.40 1qan s ASN 177 Ca -0.06 -0.56 -0.22 0.00 -1.57 0.00 0.00 52.86 50.44 1qan s ASN 177 Cb -0.15 -1.50 -0.06 0.00 -0.02 0.00 0.00 41.25 39.52 1qan s ASN 177 CO -0.01 0.06 1.36 -0.60 -2.57 0.00 0.00 177.10 175.33 1qan s ARG 178 N 0.97 3.27 0.23 -0.60 6.06 0.46 -0.83 118.95 128.51 1qan s ARG 178 Ca -0.03 2.23 -0.05 0.00 -2.50 0.00 0.00 55.73 55.38 1qan s ARG 178 Cb -0.15 -2.33 -0.02 0.00 0.06 0.00 0.00 34.95 32.51 1qan s ARG 178 CO -0.04 -1.09 0.29 -1.59 -2.50 0.00 0.00 175.30 170.37 1qan s LYS 179 N -2.82 1.39 -0.07 5.12 -2.85 -0.96 -4.85 119.74 114.70 1qan s LYS 179 Ca 0.69 -1.51 -0.29 0.00 -1.00 0.00 0.00 55.97 53.86 1qan s LYS 179 Cb -0.40 0.36 -0.06 0.00 -2.06 0.00 0.00 37.83 35.67 1qan s LYS 179 CO 0.48 -0.52 1.81 0.21 0.10 0.00 0.00 175.35 177.43 1qan s LYS 180 N -4.02 3.99 0.19 1.78 2.20 -1.26 -4.84 119.74 117.78 1qan s LYS 180 Ca 0.32 2.21 -0.32 0.00 -0.36 0.00 0.00 55.97 57.82 1qan s LYS 180 Cb 0.04 -4.09 -0.15 0.00 -1.51 0.00 0.00 37.83 32.11 1qan s LYS 180 CO 0.12 -1.10 1.13 0.45 -0.36 0.00 0.00 175.35 175.59 1qan n SER 181 N 7.99 1.29 0.02 1.43 2.88 -1.26 -4.88 113.62 121.09 1qan n SER 181 Ca 0.20 1.15 0.13 0.00 -1.33 0.00 0.00 58.87 59.01 1qan n SER 181 Cb 0.43 -1.22 0.38 0.00 -0.75 0.00 0.00 64.21 63.05 1qan n SER 181 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1qan n ARG 182 N 1.59 0.08 -4.01 -1.46 5.12 -0.79 -4.71 116.66 112.49 1qan n ARG 182 Ca 0.14 0.04 -0.34 0.00 -1.93 0.00 0.00 57.85 55.77 1qan n ARG 182 Cb 0.26 -1.57 -0.15 0.00 -1.16 0.00 0.00 32.46 29.84 1qan n ARG 182 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1qan s ILE 183 N -3.04 2.58 0.64 0.55 -1.09 -1.26 -5.10 121.20 114.47 1qan s ILE 183 Ca 0.11 -1.15 -0.18 0.00 -2.23 0.00 0.00 60.65 57.19 1qan s ILE 183 Cb 0.17 -2.32 -0.02 0.00 -1.58 0.00 0.00 42.46 38.71 1qan s ILE 183 CO 0.63 0.20 1.29 -1.54 -1.23 0.00 0.00 174.94 174.30 1qan n SER 184 N 4.61 2.11 0.23 3.58 3.41 -1.26 -4.87 113.62 121.42 1qan n SER 184 Ca -0.17 0.84 0.17 0.00 -0.26 0.00 0.00 58.87 59.46 1qan n SER 184 Cb 0.46 -1.56 0.86 0.00 -0.26 0.00 0.00 64.21 63.71 1qan n SER 184 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 1qan h HIS 185 N 0.61 0.00 0.00 7.33 2.76 -1.99 -0.18 115.15 123.68 1qan h HIS 185 Ca -0.51 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.66 1qan h HIS 185 Cb 1.34 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.30 1qan h HIS 185 CO 0.41 0.00 -0.02 1.57 -1.30 0.00 0.00 177.93 178.60 1qan h LYS 186 N 0.00 0.00 -0.32 5.26 2.10 -2.05 -3.19 116.57 118.36 1qan h LYS 186 Ca 0.07 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.72 1qan h LYS 186 Cb 0.44 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.77 1qan h LYS 186 CO -0.00 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.20 1qan n ASP 187 N -2.90 2.52 -0.11 7.07 8.00 -0.09 -4.53 116.55 126.51 1qan n ASP 187 Ca 0.04 -1.88 -0.05 0.00 0.71 0.00 0.00 54.79 53.61 1qan n ASP 187 Cb 0.51 -0.21 0.01 0.00 -0.02 0.00 0.00 41.12 41.41 1qan n ASP 187 CO 0.00 0.00 0.00 0.07 -0.39 0.00 0.00 177.20 176.88 1qan h LYS 188 N 3.16 0.00 0.84 -1.24 2.10 -1.54 0.17 116.57 120.06 1qan h LYS 188 Ca 0.00 -0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.61 1qan h LYS 188 Cb 0.70 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.03 1qan h LYS 188 CO 0.00 0.00 -0.45 1.96 -2.00 0.00 0.00 179.45 178.96 1qan h GLN 189 N 0.00 -1.15 -0.58 0.07 4.20 -1.87 0.34 115.11 116.13 1qan h GLN 189 Ca 0.18 0.08 0.10 0.00 0.06 0.00 0.00 58.65 59.07 1qan h GLN 189 Cb 0.28 0.26 -0.03 0.00 0.30 0.00 0.00 27.48 28.28 1qan h GLN 189 CO -0.39 -0.76 0.39 -0.22 -0.67 0.00 0.00 178.83 177.18 1qan h LYS 190 N -1.19 0.35 -0.07 1.46 3.64 -1.82 -0.40 116.57 118.55 1qan h LYS 190 Ca -0.11 -0.02 -0.23 0.00 -1.27 0.00 0.00 60.65 59.02 1qan h LYS 190 Cb 0.93 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.68 1qan h LYS 190 CO 0.15 0.23 -0.88 -0.92 -2.27 0.00 0.00 179.45 175.77 1qan h TYR 191 N 0.37 0.87 0.16 1.91 3.20 -0.42 -2.01 116.97 121.05 1qan h TYR 191 Ca 0.27 -0.42 -0.01 0.00 3.14 0.00 0.00 58.73 61.71 1qan h TYR 191 Cb 0.57 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.73 1qan h TYR 191 CO -0.00 1.24 -0.08 -0.97 -1.64 0.00 0.00 178.16 176.71 1qan h ASN 192 N 0.39 -0.18 0.26 -2.11 -1.24 0.62 -0.96 115.58 112.35 1qan h ASN 192 Ca -0.07 -0.00 -0.00 0.00 0.71 0.00 0.00 56.30 56.93 1qan h ASN 192 Cb 1.50 0.05 -0.01 0.00 0.73 0.00 0.00 38.32 40.59 1qan h ASN 192 CO 0.17 -0.12 -0.22 0.22 -1.29 0.00 0.00 177.43 176.18 1qan h TYR 193 N -0.23 -0.59 -0.41 0.67 3.20 -1.21 -2.38 116.97 116.03 1qan h TYR 193 Ca -0.02 0.00 0.08 0.00 3.14 0.00 0.00 58.73 61.93 1qan h TYR 193 Cb 0.17 0.22 -0.07 0.00 1.54 0.00 0.00 36.73 38.59 1qan h TYR 193 CO -0.06 -0.33 -0.07 0.35 -1.64 0.00 0.00 178.16 176.41 1qan h PHE 194 N -0.50 -0.15 -0.27 -3.82 3.57 -1.25 -0.96 116.94 113.55 1qan h PHE 194 Ca -0.01 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.57 1qan h PHE 194 Cb 0.45 0.13 -0.05 0.00 2.79 0.00 0.00 35.95 39.27 1qan h PHE 194 CO -0.14 -0.14 -0.04 0.28 -2.23 0.00 0.00 178.31 176.04 1qan h VAL 195 N 0.04 0.76 -0.19 1.41 2.07 -1.05 0.11 116.25 119.40 1qan h VAL 195 Ca 0.20 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.70 1qan h VAL 195 Cb 0.30 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1qan h VAL 195 CO -0.39 0.01 0.09 0.24 0.02 0.00 0.00 177.57 177.54 1qan h MET 196 N 0.04 0.27 -0.73 1.57 2.86 -1.02 -0.97 114.93 116.95 1qan h MET 196 Ca 0.13 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.69 1qan h MET 196 Cb 0.19 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.77 1qan h MET 196 CO -0.25 0.30 0.28 0.87 1.06 0.00 0.00 176.91 179.17 1qan h LYS 197 N 0.18 1.08 -0.37 1.72 1.79 -0.92 -2.58 116.57 117.47 1qan h LYS 197 Ca 0.06 -0.19 -0.12 0.00 -2.18 0.00 0.00 60.65 58.22 1qan h LYS 197 Cb 0.12 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 30.58 1qan h LYS 197 CO -0.01 0.88 -0.23 2.35 -1.08 0.00 0.00 179.45 181.37 1qan h TRP 198 N 1.06 0.94 0.00 -1.35 2.91 -0.61 -0.64 115.95 118.26 1qan h TRP 198 Ca 0.24 -0.25 -0.07 0.00 1.13 0.00 0.00 58.89 59.95 1qan h TRP 198 Cb 0.21 -0.21 -0.01 0.00 -0.51 0.00 0.00 29.16 28.64 1qan h TRP 198 CO 0.02 1.01 -0.32 -0.39 -1.03 0.00 0.00 178.44 177.73 1qan h VAL 199 N 0.60 0.98 -0.11 2.65 -1.51 -1.07 -1.87 116.25 115.93 1qan h VAL 199 Ca 0.08 -1.22 0.00 0.00 -1.23 0.00 0.00 66.70 64.32 1qan h VAL 199 Cb 0.79 1.71 0.00 0.00 -2.13 0.00 0.00 31.29 31.66 1qan h VAL 199 CO 0.06 0.32 0.00 0.59 -1.23 0.00 0.00 177.57 177.31 1qan n ASN 200 N -3.79 1.22 -2.22 4.19 5.03 -0.98 -4.92 115.26 113.78 1qan n ASN 200 Ca -0.01 -1.61 -0.20 0.00 0.87 0.00 0.00 54.58 53.62 1qan n ASN 200 Cb 0.41 -0.07 -0.03 0.00 -1.02 0.00 0.00 39.78 39.07 1qan n ASN 200 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1qan n LYS 201 N 0.02 -1.66 -2.14 3.52 5.02 -0.70 -4.85 118.16 117.36 1qan n LYS 201 Ca 0.16 1.03 -0.41 0.00 -2.02 0.00 0.00 58.31 57.07 1qan n LYS 201 Cb 0.26 -5.63 -0.00 0.00 -0.02 0.00 0.00 35.03 29.64 1qan n LYS 201 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1qan n GLU 202 N -2.85 4.28 -0.25 1.97 1.02 -0.28 -4.75 120.64 119.78 1qan n GLU 202 Ca -0.23 -3.53 -0.03 0.00 -0.02 0.00 0.00 57.16 53.35 1qan n GLU 202 Cb 0.68 -2.72 0.08 0.00 -0.02 0.00 0.00 31.44 29.46 1qan n GLU 202 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 1qan h TYR 203 N 4.99 0.83 -0.02 -0.32 0.05 -1.89 -2.59 116.97 118.02 1qan h TYR 203 Ca 0.59 0.02 0.01 0.00 0.05 0.00 0.00 58.73 59.40 1qan h TYR 203 Cb 0.42 -0.27 -0.00 0.00 1.01 0.00 0.00 36.73 37.89 1qan h TYR 203 CO 1.47 0.47 0.09 0.87 -1.05 0.00 0.00 178.16 180.01 1qan h LYS 204 N 0.86 0.00 -0.00 4.88 1.57 -1.86 0.14 116.57 122.16 1qan h LYS 204 Ca 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 1qan h LYS 204 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1qan h LYS 204 CO -0.12 0.00 -0.13 1.63 -0.57 0.00 0.00 179.45 180.27 1qan n LYS 205 N -3.22 0.46 0.00 3.15 5.02 -0.98 -4.10 118.16 118.49 1qan n LYS 205 Ca -0.02 -0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.13 1qan n LYS 205 Cb 0.16 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.68 1qan n LYS 205 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1qan n ILE 206 N -1.15 0.00 -3.78 -0.18 -5.35 -0.30 -5.07 119.36 103.52 1qan n ILE 206 Ca 0.12 -0.13 -0.13 0.00 -0.27 0.00 0.00 62.75 62.34 1qan n ILE 206 Cb 0.29 0.71 -0.13 0.00 -1.74 0.00 0.00 39.64 38.77 1qan n ILE 206 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1qan s PHE 207 N -0.57 -0.18 0.73 4.28 0.08 0.32 -4.97 117.98 117.68 1qan s PHE 207 Ca 0.00 0.47 -0.11 0.00 0.12 0.00 0.00 56.93 57.40 1qan s PHE 207 Cb 0.00 0.00 0.03 0.00 -0.57 0.00 0.00 43.02 42.48 1qan s PHE 207 CO 0.00 -0.13 1.09 0.95 -0.10 0.00 0.00 175.22 177.04 1qan s THR 208 N 0.60 3.43 0.25 0.64 -4.23 -1.26 -4.11 115.64 110.95 1qan s THR 208 Ca -0.04 0.46 -0.03 0.00 -1.18 0.00 0.00 61.69 60.90 1qan s THR 208 Cb -0.06 -3.35 0.22 0.00 1.34 0.00 0.00 72.50 70.65 1qan s THR 208 CO -0.03 -0.61 1.79 0.50 -0.54 0.00 0.00 174.62 175.74 1qan h LYS 209 N -0.80 0.70 -0.19 3.99 3.64 -1.96 0.12 116.57 122.07 1qan h LYS 209 Ca -0.46 -0.04 -0.18 0.00 -1.27 0.00 0.00 60.65 58.71 1qan h LYS 209 Cb 1.25 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.91 1qan h LYS 209 CO 0.62 0.47 -0.60 -0.91 -2.27 0.00 0.00 179.45 176.75 1qan h ASN 210 N 0.73 0.72 -0.53 4.20 4.21 -2.00 -2.76 115.58 120.14 1qan h ASN 210 Ca 0.42 -0.41 -0.02 0.00 1.21 0.00 0.00 56.30 57.51 1qan h ASN 210 Cb 0.46 -0.21 -0.02 0.00 -1.12 0.00 0.00 38.32 37.43 1qan h ASN 210 CO -0.29 1.15 0.27 1.56 -1.29 0.00 0.00 177.43 178.83 1qan h GLN 211 N 0.48 0.75 0.28 0.81 4.20 -1.71 -1.91 115.11 118.01 1qan h GLN 211 Ca -0.00 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.61 1qan h GLN 211 Cb 1.17 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.78 1qan h GLN 211 CO 0.12 0.61 -0.43 0.35 -0.67 0.00 0.00 178.83 178.81 1qan h PHE 212 N 0.71 -1.20 0.04 2.96 3.04 -0.95 -0.51 116.94 121.03 1qan h PHE 212 Ca 0.18 0.02 0.03 0.00 3.98 0.00 0.00 57.97 62.18 1qan h PHE 212 Cb 0.10 0.49 -0.05 0.00 2.56 0.00 0.00 35.95 39.04 1qan h PHE 212 CO -0.01 -0.56 -0.37 -0.91 -2.02 0.00 0.00 178.31 174.44 1qan h ASN 213 N -0.78 -1.11 -0.86 0.41 4.21 -1.33 -1.86 115.58 114.27 1qan h ASN 213 Ca -0.01 0.13 0.13 0.00 1.21 0.00 0.00 56.30 57.77 1qan h ASN 213 Cb 0.73 0.43 -0.09 0.00 -1.12 0.00 0.00 38.32 38.28 1qan h ASN 213 CO -0.15 -0.43 0.47 0.78 -1.29 0.00 0.00 177.43 176.80 1qan h ASN 214 N -0.55 0.61 -0.27 5.81 2.35 -1.23 -1.30 115.58 120.99 1qan h ASN 214 Ca 0.04 0.08 -0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1qan h ASN 214 Cb 0.62 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.95 1qan h ASN 214 CO -0.27 0.28 0.15 0.28 -1.65 0.00 0.00 177.43 176.23 1qan h SER 215 N 0.70 0.34 -0.60 5.81 0.02 -0.44 0.30 113.55 119.68 1qan h SER 215 Ca 0.46 -0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 61.30 1qan h SER 215 Cb 0.59 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 63.01 1qan h SER 215 CO -0.33 0.32 0.26 -0.07 -1.14 0.00 0.00 176.83 175.87 1qan h LEU 216 N 0.33 0.81 0.26 5.07 4.07 -0.78 0.29 115.31 125.35 1qan h LEU 216 Ca 0.10 -0.16 -0.01 0.00 0.08 0.00 0.00 57.88 57.89 1qan h LEU 216 Cb 0.06 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 41.59 1qan h LEU 216 CO -0.02 0.74 -0.12 0.11 -1.08 0.00 0.00 178.44 178.07 1qan h LYS 217 N 0.82 -0.33 -0.73 1.13 1.79 -1.08 0.33 116.57 118.49 1qan h LYS 217 Ca 0.20 0.02 0.08 0.00 -2.18 0.00 0.00 60.65 58.78 1qan h LYS 217 Cb 0.17 0.08 -0.07 0.00 -1.58 0.00 0.00 32.23 30.83 1qan h LYS 217 CO -0.02 -0.16 0.39 1.25 -1.08 0.00 0.00 179.45 179.83 1qan h HIS 218 N -0.43 0.70 0.00 -1.35 2.76 -0.16 0.73 115.15 117.39 1qan h HIS 218 Ca -0.04 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 1qan h HIS 218 Cb 0.33 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 29.08 1qan h HIS 218 CO -0.04 0.28 0.00 0.00 -1.30 0.00 0.00 177.93 176.88 1qan n ALA 219 N -2.39 2.02 -2.65 5.26 0.00 0.99 -4.91 120.51 118.84 1qan n ALA 219 Ca 0.11 -0.04 -0.11 0.00 0.00 0.00 0.00 53.44 53.40 1qan n ALA 219 Cb 0.25 -1.39 0.02 0.00 0.00 0.00 0.00 19.45 18.33 1qan n ALA 219 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qan n GLY 220 N 0.79 0.12 3.46 0.00 0.00 0.61 -4.84 105.19 105.34 1qan n GLY 220 Ca 0.05 -0.34 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 1qan n GLY 220 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qan s ILE 221 N -2.86 4.84 -0.13 -0.61 1.01 0.83 -4.90 121.20 119.38 1qan s ILE 221 Ca 0.15 -0.35 -0.19 0.00 0.00 0.00 0.00 60.65 60.26 1qan s ILE 221 Cb -0.07 -4.29 -0.26 0.00 0.01 0.00 0.00 42.46 37.85 1qan s ILE 221 CO 0.19 -0.78 0.54 -2.24 0.00 0.00 0.00 174.94 172.65 1qan h ASP 222 N 8.99 0.25 -3.60 3.58 3.04 -1.91 -3.43 116.42 123.33 1qan h ASP 222 Ca -0.27 -0.81 -0.70 0.00 -3.24 0.00 0.00 57.03 52.01 1qan h ASP 222 Cb 1.09 -0.08 -0.23 0.00 -1.04 0.00 0.00 39.33 39.08 1qan h ASP 222 CO 0.96 1.49 -0.50 -0.62 -2.04 0.00 0.00 179.24 178.52 1qan s ASP 223 N -6.87 5.80 0.00 4.15 -1.08 -1.26 -4.95 116.67 112.46 1qan s ASP 223 Ca -0.21 -0.79 0.21 0.00 -0.52 0.00 0.00 52.55 51.24 1qan s ASP 223 Cb 0.03 -2.06 1.24 0.00 -1.46 0.00 0.00 42.92 40.67 1qan s ASP 223 CO 0.72 -0.33 1.66 -0.11 0.52 0.00 0.00 175.17 177.63 1qan n LEU 224 N 5.04 0.00 -0.47 -1.34 7.94 -1.26 -1.92 117.00 124.99 1qan n LEU 224 Ca -0.12 0.05 0.04 0.00 -1.11 0.00 0.00 56.01 54.87 1qan n LEU 224 Cb 0.47 -0.05 0.10 0.00 0.53 0.00 0.00 43.42 44.47 1qan n LEU 224 CO 0.37 -0.02 0.56 -3.20 -1.11 0.00 0.00 177.39 173.99 1qan n ASN 225 N -1.05 2.53 -3.23 1.96 2.85 -1.26 -4.80 115.26 112.26 1qan n ASN 225 Ca 0.15 -1.88 -0.13 0.00 -0.11 0.00 0.00 54.58 52.61 1qan n ASN 225 Cb 0.09 -0.15 -0.05 0.00 1.24 0.00 0.00 39.78 40.91 1qan n ASN 225 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 1qan s ASN 226 N -0.95 0.21 0.06 1.20 3.04 -0.81 -5.05 114.94 112.65 1qan s ASN 226 Ca 0.16 -1.69 0.08 0.00 0.04 0.00 0.00 52.86 51.46 1qan s ASN 226 Cb 0.09 0.93 -0.03 0.00 -1.54 0.00 0.00 41.25 40.70 1qan s ASN 226 CO 0.12 -0.19 -0.23 0.27 -3.04 0.00 0.00 177.10 174.03 1qan s ILE 227 N 1.19 1.84 0.58 -5.21 -4.36 -1.26 -4.66 121.20 109.32 1qan s ILE 227 Ca 0.22 -1.35 -0.07 0.00 -0.26 0.00 0.00 60.65 59.18 1qan s ILE 227 Cb -0.08 -1.60 -0.01 0.00 1.25 0.00 0.00 42.46 42.02 1qan s ILE 227 CO -0.06 0.19 0.92 -0.94 0.24 0.00 0.00 174.94 175.28 1qan s SER 228 N -1.39 5.88 0.33 4.36 1.04 -1.26 -4.70 113.70 117.95 1qan s SER 228 Ca 0.09 0.96 0.03 0.00 0.48 0.00 0.00 55.95 57.50 1qan s SER 228 Cb -0.09 -2.03 0.62 0.00 0.10 0.00 0.00 66.02 64.62 1qan s SER 228 CO 0.03 -0.93 1.94 0.15 0.98 0.00 0.00 173.24 175.41 1qan h PHE 229 N -0.15 0.92 -0.85 5.02 3.57 -1.98 -1.34 116.94 122.12 1qan h PHE 229 Ca -0.46 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.07 1qan h PHE 229 Cb 1.23 -0.30 -0.04 0.00 2.79 0.00 0.00 35.95 39.62 1qan h PHE 229 CO 0.54 0.49 0.53 0.93 -2.23 0.00 0.00 178.31 178.58 1qan h GLU 230 N 0.91 1.15 -0.32 1.11 4.39 -1.99 -0.12 114.58 119.71 1qan h GLU 230 Ca 0.35 -0.09 -0.08 0.00 0.34 0.00 0.00 59.36 59.88 1qan h GLU 230 Cb 0.19 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 1qan h GLU 230 CO -0.12 0.79 -0.12 1.96 -1.16 0.00 0.00 179.01 180.37 1qan h GLN 231 N 1.17 0.56 -0.41 2.33 4.20 -1.62 -1.85 115.11 119.49 1qan h GLN 231 Ca 0.31 -0.16 -0.12 0.00 0.06 0.00 0.00 58.65 58.73 1qan h GLN 231 Cb -0.07 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 1qan h GLN 231 CO -0.06 0.67 -0.23 0.35 -0.67 0.00 0.00 178.83 178.89 1qan h PHE 232 N 0.51 1.01 -0.17 2.96 3.57 -0.24 -2.23 116.94 122.35 1qan h PHE 232 Ca 0.09 -0.26 -0.03 0.00 3.53 0.00 0.00 57.97 61.30 1qan h PHE 232 Cb 0.51 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 1qan h PHE 232 CO 0.02 1.05 -0.04 -0.07 -2.23 0.00 0.00 178.31 177.04 1qan h LEU 233 N 0.69 0.24 0.01 0.59 3.38 -0.76 -0.20 115.31 119.25 1qan h LEU 233 Ca 0.09 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1qan h LEU 233 Cb 0.80 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1qan h LEU 233 CO 0.07 0.32 -0.00 -1.28 0.09 0.00 0.00 178.44 177.63 1qan h SER 234 N 0.25 -0.01 -0.33 -0.43 0.87 -1.00 -0.15 113.55 112.75 1qan h SER 234 Ca 0.06 -0.12 0.05 0.00 -1.23 0.00 0.00 61.79 60.55 1qan h SER 234 Cb 0.24 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.16 1qan h SER 234 CO 0.01 0.11 0.05 -0.07 -0.53 0.00 0.00 176.83 176.40 1qan h LEU 235 N -0.14 -0.02 -1.95 2.23 3.38 -0.69 0.16 115.31 118.29 1qan h LEU 235 Ca -0.00 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1qan h LEU 235 Cb 0.13 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1qan h LEU 235 CO 0.00 0.02 -0.08 0.15 0.09 0.00 0.00 178.44 178.63 1qan h PHE 236 N 0.16 0.00 -0.04 1.13 3.57 -0.84 -0.05 116.94 120.86 1qan h PHE 236 Ca 0.16 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.59 1qan h PHE 236 Cb 0.19 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.93 1qan h PHE 236 CO -0.19 0.08 -0.24 -0.97 -2.23 0.00 0.00 178.31 174.75 1qan h ASN 237 N 0.00 0.29 -0.79 0.41 -1.24 0.63 -2.27 115.58 112.60 1qan h ASN 237 Ca -0.00 -0.67 -0.02 0.00 0.71 0.00 0.00 56.30 56.33 1qan h ASN 237 Cb 0.15 -0.08 -0.04 0.00 0.73 0.00 0.00 38.32 39.08 1qan h ASN 237 CO 0.01 0.91 0.43 0.28 -1.29 0.00 0.00 177.43 177.77 1qan h SER 238 N -0.31 0.99 -0.62 1.15 0.02 -0.63 -1.15 113.55 113.00 1qan h SER 238 Ca -0.02 -0.09 0.06 0.00 -0.84 0.00 0.00 61.79 60.91 1qan h SER 238 Cb 0.90 -0.25 -0.05 0.00 0.14 0.00 0.00 62.40 63.14 1qan h SER 238 CO 0.05 0.80 0.33 0.22 -1.14 0.00 0.00 176.83 177.09 1qan h TYR 239 N 1.12 0.60 -0.11 3.45 3.20 -0.98 0.16 116.97 124.41 1qan h TYR 239 Ca 0.28 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.17 1qan h TYR 239 Cb 0.03 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.12 1qan h TYR 239 CO 0.01 0.28 0.03 0.87 -1.64 0.00 0.00 178.16 177.70 1qan h LYS 240 N 0.61 0.17 -0.88 1.82 1.57 -0.72 -2.93 116.57 116.22 1qan h LYS 240 Ca 0.28 -0.04 0.13 0.00 -1.87 0.00 0.00 60.65 59.15 1qan h LYS 240 Cb 0.19 -0.02 -0.09 0.00 0.08 0.00 0.00 32.23 32.39 1qan h LYS 240 CO -0.19 0.34 0.49 1.25 -0.57 0.00 0.00 179.45 180.78 1qan h LEU 241 N -0.03 0.67 0.00 2.94 5.85 -0.64 0.13 115.31 124.22 1qan h LEU 241 Ca 0.03 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1qan h LEU 241 Cb 0.25 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.23 1qan h LEU 241 CO 0.00 0.33 0.00 0.49 -0.34 0.00 0.00 178.44 178.92 1qan n PHE 242 N -4.78 0.00 -2.54 1.25 3.72 -0.01 -3.72 117.46 111.39 1qan n PHE 242 Ca 0.17 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.58 1qan n PHE 242 Cb 0.38 -0.24 0.02 0.00 -0.94 0.00 0.00 39.48 38.70 1qan n PHE 242 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1qan n ASN 243 N -1.24 0.69 -0.12 4.37 3.02 0.34 -5.08 115.26 117.24 1qan n ASN 243 Ca 0.09 -2.02 0.15 0.00 -0.03 0.00 0.00 54.58 52.78 1qan n ASN 243 Cb 0.13 -0.19 0.84 0.00 -0.61 0.00 0.00 39.78 39.95 1qan n ASN 243 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93